1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole

C15H20N2 — CID 90693378

IUPAC1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole
SMILESc1ccc2c(c1)CNC2C1CC2CCN1CC2
InChIInChI=1S/C15H20N2/c1-2-4-13-12(3-1)10-16-15(13)14-9-11-5-7-17(14)8-6-11/h1-4,11,14-16H,5-10H2
InChIKeyTYGKTSBBZIQUTR-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.32
Rot. Bonds1

About 1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole

1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole (PubChem CID 90693378) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole
PubChem CID90693378
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole
SMILESc1ccc2c(c1)CNC2C1CC2CCN1CC2
InChIInChI=1S/C15H20N2/c1-2-4-13-12(3-1)10-16-15(13)14-9-11-5-7-17(14)8-6-11/h1-4,11,14-16H,5-10H2
InChIKeyTYGKTSBBZIQUTR-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole (CID 90693378) is 1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole is c1ccc2c(c1)CNC2C1CC2CCN1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole?
The InChIKey is TYGKTSBBZIQUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-4-13-12(3-1)10-16-15(13)14-9-11-5-7-17(14)8-6-11/h1-4,11,14-16H,5-10H2.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole?
1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole has a molecular weight of 228.34 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-2-yl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 90693378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).